(3R,4R)-3-fluoro-4-propan-2-ylpiperidine

C8H16FN — CID 168979168

IUPAC(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C8H16FN/c1-6(2)7-3-4-10-5-8(7)9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyPUIYNQFERAHNKL-SFYZADRCSA-N
MW145.22 g/mol
LogP1.59
Rot. Bonds1

About (3R,4R)-3-fluoro-4-propan-2-ylpiperidine

(3R,4R)-3-fluoro-4-propan-2-ylpiperidine (PubChem CID 168979168) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
PubChem CID168979168
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C8H16FN/c1-6(2)7-3-4-10-5-8(7)9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyPUIYNQFERAHNKL-SFYZADRCSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-propan-2-ylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-4-propan-2-ylpiperidine (CID 168979168) is (3R,4R)-3-fluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-4-propan-2-ylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-4-propan-2-ylpiperidine is CC(C)[C@H]1CCNC[C@@H]1F.
What is the InChIKey of (3R,4R)-3-fluoro-4-propan-2-ylpiperidine?
The InChIKey is PUIYNQFERAHNKL-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)7-3-4-10-5-8(7)9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-propan-2-ylpiperidine?
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine has a molecular weight of 145.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 168979168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).